Geometry & MOs

Info

ID:	153129
PubChem CID:	56312271
Reduced:	O4N5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	457.247775
ΔH_f, kcal/mol:	20.83
Dipole, Da:	3.51
IP(EA), eV:	-9.33(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations